Information card for entry 7034770

Structure parameters

• Formula: C134 H271 Dy6 N15 O79 Zn2
• Calculated formula: C107 H163 Dy6 N15 O52 Zn2
• Title of publication: Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.
• Authors of publication: Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10315 - 10320
• a: 20.6705 ± 0.0003 Å
• b: 21.966 ± 0.0004 Å
• c: 25.1531 ± 0.0003 Å
• α: 71.9837 ± 0.0014°
• β: 88.2024 ± 0.001°
• γ: 64.4382 ± 0.0015°
• Cell volume: 9728.1 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No